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hyj356's Projects

2-dimension-lj-md-code icon 2-dimension-lj-md-code

一个简单的模拟二维情况下使用LJ势的分子动力学代码, 单位制为LAMMPS中的LJ制, 通过src中的parameter.nml文件中的变量控制仿真参数,

3-dimension-lj-md-code- icon 3-dimension-lj-md-code-

一个简短的3维LJ势的分子动力学代码, 使用LAMMPS中的LJ单位制, 无物理意义, 仅为练手使用.

eam_compute icon eam_compute

使用Fortran写的根据eam文件格式和ATOMSK生成的lmp格式的data文件计算模型势能的代码

eamalloy_compute icon eamalloy_compute

根据eam/alloy格式的文件和ATOMSK输出的data文件计算模型的势能

gradientpolycrystal icon gradientpolycrystal

一个用于生成梯度多晶的节点的Fortran程序, 生成的节点坐标可以被ATOMSK读取以生成二维梯度多晶模型

monte-carlo icon monte-carlo

一个极其简单极其简短的, 用Fortran代码写的专门用于合金体系的MC迭代程序.

neighbor-list-o-n- icon neighbor-list-o-n-

运行时间复杂度为O(N^2)和O(N)的verlet法和cell法构建邻居列表, 对比它们的耗时多少.

ovito_binreduce icon ovito_binreduce

将OVITO中的收费模块的spatial bin封装了5个函数以供同学们调用这个模块计算数据导出绘图. OVITO的付费模块的python的API是可以免费使用的.

ovito_render icon ovito_render

将ovito中2个收费的渲染器的python的API进行了封装以便于调用

wcp_calculate icon wcp_calculate

一段计算高熵合金模型中warrlen-cowley参数的代码, 根据NC文章复现.

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